SCHEMBL8511069

SCHEMBL8511069

O=C(O)C1CC12CCN(c1ccc(N3CCNc4ccccc43)nc1)CC2

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.43
SYK P43405 9/20 0.40
PTPN11 Q06124 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
IDH1 O75874 2/20 0.38
JAK2 O60674 5/20 0.37
FFAR4 Q5NUL3 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8509241 0.80 PTPN11 (0.41) HSD11B1PTPN11JAK2
SCHEMBL8509465 0.79 PTPN11 (0.42) HSD11B1PTPN11
SCHEMBL8511584 0.78 HSD11B1 (0.41) HSD11B1PTPN11
SCHEMBL1159359 0.77 MKNK1 (0.39) HSD11B1PTPN11
SCHEMBL974634 0.75 KDM4E (0.47) HSD11B1PTPN11
SCHEMBL974412 0.74 HSD11B1 (0.51) HSD11B1
SCHEMBL1159894 0.74 PTPN11 (0.37) HSD11B1PTPN11
SCHEMBL1160741 0.73 HSD11B1 (0.46) HSD11B1PTPN11
SCHEMBL1160146 0.73 PTPN11 (0.37) HSD11B1PTPN11
SCHEMBL16239652 0.72 HSD11B1 (0.46) HSD11B1PTPN11

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530473-B2 Tetrahydroquinoxaline urea derivatives as modulators of 11β-hydroxysteroid dehydrogenase type 1 SANOFI (FR) 2013-09-10 US disclosed
US-20120135958-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-05-31 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120135958-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF CBR3, CBR1, OXGR1 HSD11B1 1963/4885SYK 1518/4885PTPN11 2077/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.